BDBM504781 (3S)-N- tert-butyl- 4-{3- fluoro-4- [5- (trifluoro- methyl)- 1,2,4-oxa- diazol-3- yl]phenyl}- N-methyl- 5-oxo- morpholine- 3- carboxamide::US11066396, Example 196

SMILES CN(C(=O)[C@@H]1COCC(=O)N1c1ccc(-c2noc(n2)C(F)(F)F)c(F)c1)C(C)(C)C

InChI Key InChIKey=WCSKDSQDPXOBSK-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 504781   

TargetHistone deacetylase 6(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504781((3S)-N- tert-butyl- 4-{3- fluoro-4- [5- (trifluoro...)
Affinity DataIC50: 16nMAssay Description:HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
Go to US Patent

TargetHistone deacetylase 5(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504781((3S)-N- tert-butyl- 4-{3- fluoro-4- [5- (trifluoro...)
Affinity DataIC50: 300nMAssay Description:HDAC5 reagents: N-terminal GST tagged HDAC5 was purchased from BPS Bioscience [catalog #50045]. Assays were performed with buffer containing 20 mM HE...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
Go to US Patent

TargetHistone deacetylase 8(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504781((3S)-N- tert-butyl- 4-{3- fluoro-4- [5- (trifluoro...)
Affinity DataIC50: 6.30E+3nMAssay Description:HDAC8 reagents: HDAC8 was purchased from Enzo Life Sciences [catalog #BML-SE145]. Assays were performed with buffer containing 20 mM HEPES, pH 8.0 [B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
Go to US Patent

TargetHistone deacetylase 1(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM504781((3S)-N- tert-butyl- 4-{3- fluoro-4- [5- (trifluoro...)
Affinity DataIC50: 6.90E+3nMAssay Description:HDAC1 and 6 reagents: FLAG-tagged HDACs 1 and 6 were prepared in-house by protein expression in HEK293F cells followed by anti-FLAG affinity purifica...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2021
Entry Details
Go to US Patent